ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-bromo-3-methyl-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-methylphenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C15H20BrN3O2S/c1-3-21-15(20)19-8-6-18(7-9-19)14(22)17-12-4-5-13(16)11(2)10-12/h4-5,10H,3,6-9H2,1-2H3,(H,17,22)